SCHEMBL8959873

SCHEMBL8959873

CC(C)Cc1ccc(CCCCC(=O)c2c[nH]c3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61
ADAM17 P78536 1/20 0.53
CTNNB1 P35222 5/20 0.53
WNT3A P56704 5/20 0.53
GABRA1 P14867 3/20 0.51
GABRB2 P47870 3/20 0.51
POLB P06746 1/20 0.50
IGF1R P08069 1/20 0.48
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
HAT1 O14929 2/20 0.47
EP300 Q09472 2/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8959823 0.88 MAPT (0.57) MAPTHPGDADAM17CTNNB1WNT3A
SCHEMBL8959773 0.83 MAPT (0.58) MAPTHPGDADAM17CTNNB1WNT3A
SCHEMBL8959729 0.82 MAPT (0.57) MAPTHPGDADAM17CTNNB1WNT3A
SCHEMBL8959890 0.82 MAPT (0.57) MAPTHPGDADAM17CTNNB1WNT3A
SCHEMBL9289530 0.79 MAPT (0.56) MAPTHPGDADAM17CTNNB1WNT3A
SCHEMBL1563151 0.78 GABRA1 (0.74) MAPTADAM17CTNNB1WNT3AGABRA1
SCHEMBL8959745 0.78 ADAM17 (0.66) MAPTHPGDADAM17CTNNB1WNT3A
SCHEMBL8959876 0.77 SLC6A4 (0.54) MAPTHPGDALDH1A1KMT2A
SCHEMBL8077164 0.77 GABRA1 (0.72) MAPTADAM17CTNNB1WNT3AGABRA1
SCHEMBL8959628 0.77 GABRA1 (0.72) MAPTADAM17CTNNB1WNT3AGABRA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530019-A FOR TREATMENT OF PROSTATE GLAND DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-25 US disclosed
EP-0648208-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-19 EP disclosed
WO-1994022821-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed